N-(butan-2-ylideneamino)butan-2-amine

C8H18N2 — CID 535880

IUPACN-(butan-2-ylideneamino)butan-2-amine
SMILESCCC(C)=NNC(C)CC
InChIInChI=1S/C8H18N2/c1-5-7(3)9-10-8(4)6-2/h7,9H,5-6H2,1-4H3
InChIKeyPSEJHDMQAHLTJM-UHFFFAOYSA-N
MW142.25 g/mol
LogP2.16
Rot. Bonds4

About N-(butan-2-ylideneamino)butan-2-amine

N-(butan-2-ylideneamino)butan-2-amine (PubChem CID 535880) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)butan-2-amine.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)butan-2-amine
PubChem CID535880
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-(butan-2-ylideneamino)butan-2-amine
SMILESCCC(C)=NNC(C)CC
InChIInChI=1S/C8H18N2/c1-5-7(3)9-10-8(4)6-2/h7,9H,5-6H2,1-4H3
InChIKeyPSEJHDMQAHLTJM-UHFFFAOYSA-N
XLogP2.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(butan-2-ylideneamino)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)butan-2-amine?
The IUPAC name of N-(butan-2-ylideneamino)butan-2-amine (CID 535880) is N-(butan-2-ylideneamino)butan-2-amine.
What is the SMILES notation for N-(butan-2-ylideneamino)butan-2-amine?
The canonical SMILES for N-(butan-2-ylideneamino)butan-2-amine is CCC(C)=NNC(C)CC.
What is the InChIKey of N-(butan-2-ylideneamino)butan-2-amine?
The InChIKey is PSEJHDMQAHLTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-7(3)9-10-8(4)6-2/h7,9H,5-6H2,1-4H3.
What are the key properties of N-(butan-2-ylideneamino)butan-2-amine?
N-(butan-2-ylideneamino)butan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)butan-2-amine is sourced from PubChem (CID 535880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).